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Methotrexate

CHEBI:CHEBI_44185

Chemical Information

Molecular Formula
C20H22N8O5
Molecular Mass
454.43960
Charge
0
SMILES
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
InChI
InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1
InChIKey
FBOZXECLQNJBKD-ZDUSSCGKSA-N

Alternative Names

  • 4-amino-10-methylfolic acid
  • 4-amino-N(10)-methylpteroylglutamic acid
  • Emtexate
  • Ledertrexate
  • methotrexate
  • Methotrexate
  • METHOTREXATE
  • methotrexatum
  • metotrexato
  • MTX
  • N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-L-glutamic acid
  • N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamic acid
  • Rheumatrex
  • Trexall

Treatment Applications

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

DRON_00010000
6851
oboInOwl#hasDbXref
Wikipedia:Methotrexate
core#notation
CHEBI:44185

Additional References

Wikipedia:Methotrexate

🔍 Click on any linked disease name to learn more about the conditions this medication is used to treat, or explore related drug classifications for more information about similar medications.

Additional Attributes

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chebi_ontology
DRON_00010000
6851
oboInOwl#hasDbXref
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oboInOwl#hasAlternativeId
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oboInOwl#id
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core#notation
CHEBI:44185
RO_0000087
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chebi#is_conjugate_acid_of
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chebi#has_functional_parent
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22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
has_treatment
http://purl.obolibrary.org/obo/DOID_0070526
rdf-schema#range
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chebi#is_conjugate_base_of
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rdf-schema#domain
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owl#annotatedSource
t218054
owl#someValuesFrom
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Treatment
http://purl.obolibrary.org/obo/DOID_0040096
Medication
http://purl.obolibrary.org/obo/DOID_0040097